SCHEMBL16306031

SCHEMBL16306031

CCCCCCCOc1ccc(-c2cnc(-c3ccc(C[C@H](NC(=O)c4ccc(C(C)(C)C)cc4)C(=O)N[C@@H](CC(=O)NCCN)C(=O)O)cc3)nc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PLG P00747 2/20 0.47
▸ ITGB3 P05106 6/20 0.47
▸ ITGA2B P08514 6/20 0.47
▸ KLKB1 P03952 4/20 0.46
▸ ITGB1 P05556 2/20 0.42
▸ ITGA4 P13612 2/20 0.42
▸ PPARG P37231 2/20 0.42
▸ PPARA Q07869 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ SUCNR1 Q9BXA5 2/20 0.40
▸ PRSS1 P07477 1/20 0.40
▸ PRSS2 P07478 1/20 0.40
▸ PRSS3 P35030 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16305812 0.94 PLG (0.45) PLGITGB3ITGA2BKLKB1ITGB1
SCHEMBL16306068 0.92 KIFC1 (0.45) PLGITGB3ITGA2BKLKB1ITGB1
SCHEMBL16305936 0.92 KLKB1 (0.44) PLGITGB3ITGA2BKLKB1ITGB1
SCHEMBL16305928 0.92 KLKB1 (0.44) PLGITGB3ITGA2BKLKB1ITGB1
SCHEMBL16305799 0.91 PPARG (0.45) PLGITGB3ITGA2BKLKB1ITGB1
SCHEMBL16305689 0.91 PPARG (0.45) PLGITGB3ITGA2BKLKB1ITGB1
SCHEMBL16306212 0.90 ITGB3 (0.51) PLGITGB3ITGA2BKLKB1ITGB1
SCHEMBL16305802 0.90 ITGB3 (0.51) PLGITGB3ITGA2BKLKB1ITGB1
SCHEMBL15037075 0.90 ITGB3 (0.47) PLGITGB3ITGA2BKLKB1ITGB1
SCHEMBL16305793 0.90 ITGB3 (0.50) PLGITGB3ITGA2BKLKB1ITGB1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3008056-B1 NOVEL GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-12-09 — — EP disclosed
EP-3230276-B1 GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-09-02 — — EP disclosed
US-10259823-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2019-04-16 — — US disclosed
US-10034886-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2018-07-31 — — US disclosed
US-10034886-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2018-07-31 — — US disclosed
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2018-01-25 — — US disclosed
US-20170313717-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2017-11-02 — — US disclosed
US-9795613-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2017-10-24 — — US disclosed
US-9795613-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2017-10-24 — — US disclosed
US-20160228450-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2016-08-11 — — US disclosed
US-20160214993-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2016-07-28 — — US disclosed
WO-2016094729-A1 GLP-1 RECEPTOR MODULATORS CELGENE INTERNATIONAL II SARL (CH) 2016-06-16 — — WO disclosed
US-20150011527-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2015-01-08 — — US disclosed
WO-2014201172-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS, INC. (US) 2014-12-18 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160228450-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R PLG 3184/4885ITGB3 4025/4885ITGA2B 4142/4885
US-20170313717-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R PLG 3184/4885ITGB3 4025/4885ITGA2B 4142/4885
US-20160214993-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R PLG 3184/4885ITGB3 4025/4885ITGA2B 4142/4885
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R PLG 3184/4885ITGB3 4025/4885ITGA2B 4142/4885
US-10034886-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR PLG 2930/4885ITGB3 3678/4885ITGA2B 4134/4885
US-10259823-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR PLG 2930/4885ITGB3 3678/4885ITGA2B 4134/4885
US-20150011527-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R PLG 3184/4885ITGB3 4025/4885ITGA2B 4142/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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